Skip to main content
. 2012 Mar 14;68(Pt 4):m417–m418. doi: 10.1107/S1600536812009890
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.061 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.139 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0512P)2 + 0.8996P] where P = (Fo2 + 2Fc2)/3
9512 reflections (Δ/σ)max = 0.001
501 parameters Δρmax = 0.65 e Å3
1 restraint Δρmin = −0.31 e Å3